ethyl 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-3-oxo-3-pyrrolidin-1-yl-propyl]amino]-3-oxo-propanoate CAS Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-3-oxo-3-(1-pyrrolidinyl)propyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-3-oxo-3-pyrrolidin-1-ylpropyl]amino]-3-oxopropanoate Traditional Name: 3-[[2-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-3-keto-3-pyrrolidino-propyl]amino]-3-keto-propionic acid ethyl ester Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NCC(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CC(=O)NCC(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

InChI

InChI=1S/C29H34N6O5/c1-3-40-26(37)16-25(36)32-17-21(28(38)35-12-4-5-13-35)20-10-11-24-22(15-20)33-23(29(39)34(24)2)14-18-6-8-19(9-7-18)27(30)31/h6-11,15,21H,3-5,12-14,16-17H2,1-2H3,(H3,30,31)(H,32,36)